LMPK12010107 LIPID_MAPS_STRUCTURE_DATABASE 53 58 0 0 0 999 V2000 8.6137 14.2639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5246 14.7899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5246 15.8416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6137 16.3676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7029 15.8416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7029 14.7899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4357 14.2639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3465 14.7899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3465 15.8416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4357 16.3676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2141 16.3425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0851 15.8400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9559 16.3425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9559 17.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0851 17.8510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2141 17.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0851 18.5236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6747 17.7631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9576 16.2719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6137 13.5254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3744 14.2038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0263 13.2677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8105 14.2070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7716 12.7498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9476 11.7522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8995 11.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6756 12.0569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4996 13.0546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5475 13.4011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1486 13.5990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2912 11.6258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0233 10.7045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9935 12.8885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6342 10.8511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6940 10.1478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2575 12.8453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1153 10.4433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2312 13.2015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0235 12.5367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8419 11.5158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8719 11.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0797 11.8289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1097 11.4772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9205 8.3842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0395 7.5235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3589 8.7212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3317 10.6121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1776 10.0127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0802 8.9832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1368 8.5529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2966 9.1518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3941 10.1813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5538 10.7802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 2 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 3 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 15 17 1 0 0 0 0 14 18 1 0 0 0 0 5 19 1 0 0 0 0 1 20 1 0 0 0 0 8 21 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 24 1 0 0 0 0 28 30 1 0 0 0 0 27 31 1 0 0 0 0 26 32 1 0 0 0 0 37 43 1 0 0 0 42 36 1 0 0 0 36 38 1 0 0 0 38 39 1 0 0 0 39 40 1 0 0 0 40 41 1 0 0 0 41 42 1 0 0 0 42 43 1 1 0 0 39 33 1 6 0 0 40 34 1 1 0 0 41 35 1 1 0 0 52 47 1 0 0 0 47 48 1 0 0 0 48 49 1 0 0 0 49 50 1 0 0 0 50 51 1 0 0 0 51 52 1 0 0 0 52 53 1 6 0 0 48 37 1 1 0 0 49 44 1 6 0 0 50 45 1 6 0 0 51 46 1 1 0 0 33 22 1 0 0 0 0 38 21 1 1 0 0 M CHG 1 10 1 M END > LMPK12010107 > Cyanidin 3-O-(2''-O-galloyl-6''-O-alpha-rhamnopyranosyl-beta-galactopyranoside > 2-(3,4-Dihydroxyphenyl)-3-[2-O-(3,4,5-trihydroxybenzoyl)-6-O-alpha-L-rhamnopyranosyl-beta-D-galactopyranosyloxy]-5,7-dihydroxy-1-benzopyrylium > C34H35O19 > 747.18 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > JXHSTLRCBJYSKK-IQOSSRBBSA-O > InChI=1S/C34H34O19/c1-11-24(41)27(44)29(46)33(49-11)48-10-23-26(43)28(45)31(53-32(47)13-5-19(39)25(42)20(40)6-13)34(52-23)51-22-9-15-17(37)7-14(35)8-21(15)50-30(22)12-2-3-16(36)18(38)4-12/h2-9,11,23-24,26-29,31,33-34,41,43-46H,10H2,1H3,(H6-,35,36,37,38,39,40,42,47)/p+1/t11-,23+,24-,26-,27+,28-,29+,31+,33+,34+/m0/s1 > C1(O)=CC(O)=CC2[O+]=C(C3C=C(O)C(O)=CC=3)C(O[C@H]3[C@H](OC(C4C=C(O)C(O)=C(O)C=4)=O)[C@@H](O)[C@@H](O)[C@@H](CO[C@H]4[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O4)O3)=CC1=2 > - > - > - > - > - > - > 21576547 > - > - > - > - > - > 33090; 197604 > 14559283 $$$$